SCHEMBL2604639

SCHEMBL2604639

C=C(C)C(=O)Oc1cc(CC)cc(-c2ccc3cc(OC(=O)C(=C)C)ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.44
HSD17B2 P37059 6/20 0.44
ELANE P08246 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSTP1 P09211 1/20 0.33
BCL2 P10415 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2604640 0.91 HSD17B1 (0.46) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2604633 0.84 THRB (0.48) HSD17B1HSD17B2RXRARXRBCYP11B1
SCHEMBL25581580 0.84 ELANE (0.48) HSD17B1ELANERXRARXRBKMT2A
SCHEMBL2604638 0.83 ELANE (0.41) HSD17B1HSD17B2ELANERXRARXRB
SCHEMBL11961803 0.82 ELANE (0.51) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL10014244 0.82 ELANE (0.47) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL17433306 0.82 ELANE (0.51) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2604641 0.82 ELANE (0.40) HSD17B1HSD17B2ELANERXRARXRB
SCHEMBL2604643 0.82 ELANE (0.40) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2123474 0.81 ELANE (0.48) HSD17B1HSD17B2ELANERXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 HSD17B1 380/4885HSD17B2 409/4885ELANE 2411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.